Vitas-M small molecule compound

9-[5-(2-chlorophenyl)furan-2-yl]-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

Catalog ID
STK575558
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccccc1Cl)n1c(N2)ncn1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H19ClN4O2 MW 394.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O2/c1-21(2)9-14-18(15(27)10-21)19(26-20(25-14)23-11-24-26)17-8-7-16(28-17)12-5-3-4-6-13(12)22/h3-8,11,19H,9-10H2,1-2H3,(H,23,24,25)
InChIKey
QHEFELKSIFTQDS-UHFFFAOYSA-N
Synonyms
902031-03-2
9(5(2chlorophenyl)furan2yl)66dimethyl1579tetrahydro(124)triazolo(51b)quinazolin8one
9(5(2chlorophenyl)furan2yl)66dimethyl5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
902031032
CC1(CC2=C(C(N3C(=N2)N=CN3)C4=CC=C(O4)C5=CC=CC=C5Cl)C(=O)C1)C
InChI=1SC21H19ClN4O2c121(2)91418(15(27)1021)19(2620(2514)23112426)178716(2817)12534613(12)22h381119H910H212H3(H232425)
MFCD06781417
ZINC000005322476
ZINC000005322477

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Available files

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